Events The 1st International Electronic Conference on Synthetic Organic Chemistry

Event submissions

Published

10.3390/ecsoc-1-02065

This submission belongs to the session f. Information and Compound Archives Management of the event The 1st International Electronic Conference on Synthetic Organic Chemistry

Published date

01 Sep, 1997

Citation

Shu-Kun Lin, Molecular Diversity Assessment: Calculation, in Proceedings of The 1st International Electronic Conference on Synthetic Organic Chemistry, 1 November–30 November 1997, MDPI: Basel, Switzerland, doi: 10.3390/ecsoc-1-02065

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Molecular Diversity Assessment: Calculation

Shu-Kun Lin ¹

1. Molecular Diversity Assessment: Calculation

Abstract

A new pairwise similarity formula has been defined and used for molecular diversity assessment based on a novel method. It is demonstrated here that the logarithmic relations of entropy and indistinguishability give the expected diversity values which decrease with the increase in species similarities. The calculation by Agrafiotis would be successful if the present pairwise similarity is used.

Keywords

Species diversity

entropy

similarity

diversity calculation

HQSAR: A New, Highly Predictive QSAR Technique

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